1-(3-methoxyphenyl)-2-(propylamino)ethanol

C12H19NO2 — CID 15006474

IUPAC1-(3-methoxyphenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-3-7-13-9-12(14)10-5-4-6-11(8-10)15-2/h4-6,8,12-14H,3,7,9H2,1-2H3
InChIKeyYXXKQOFSTLERAJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-(propylamino)ethanol

1-(3-methoxyphenyl)-2-(propylamino)ethanol (PubChem CID 15006474) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(propylamino)ethanol
PubChem CID15006474
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(3-methoxyphenyl)-2-(propylamino)ethanol
SMILESCCCNCC(O)c1cccc(OC)c1
InChIInChI=1S/C12H19NO2/c1-3-7-13-9-12(14)10-5-4-6-11(8-10)15-2/h4-6,8,12-14H,3,7,9H2,1-2H3
InChIKeyYXXKQOFSTLERAJ-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(propylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(propylamino)ethanol (CID 15006474) is 1-(3-methoxyphenyl)-2-(propylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(propylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(propylamino)ethanol is CCCNCC(O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(propylamino)ethanol?
The InChIKey is YXXKQOFSTLERAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-7-13-9-12(14)10-5-4-6-11(8-10)15-2/h4-6,8,12-14H,3,7,9H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(propylamino)ethanol?
1-(3-methoxyphenyl)-2-(propylamino)ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(propylamino)ethanol is sourced from PubChem (CID 15006474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).